(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1-pyrazolylmethyl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)CN4C=CC=N4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)CN4C=CC=N4)C5=CC=CS5)OC

InChI

InChI=1S/C26H25N3O3S/c1-31-22-15-20-10-13-29(25(24-5-3-14-33-24)21(20)16-23(22)32-2)26(30)19-8-6-18(7-9-19)17-28-12-4-11-27-28/h3-9,11-12,14-16,25H,10,13,17H2,1-2H3